USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 609 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 ASN : amide:sc= -1.52! C(o=-1.6!,f=-2.9!) USER MOD Set 1.2: A 52 LYS NZ :NH3+ -153:sc= -0.0931 (180deg=-0.504) USER MOD Single : A 1 ALA N :NH3+ -135:sc= 0.706 (180deg=-2.26!) USER MOD Single : A 5 LYS NZ :NH3+ 177:sc= 0.692 (180deg=0.473) USER MOD Single : A 14 HIS : no HE2:sc= 1.12 K(o=1.1,f=-3.3!) USER MOD Single : A 20 LYS NZ :NH3+ 155:sc= 0.966 (180deg=0.274) USER MOD Single : A 24 LYS NZ :NH3+ 145:sc=-0.00739 (180deg=-3.1!) USER MOD Single : A 36 CYS SG : rot -157:sc= -2.86! USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -1.51! C(o=-1.5!,f=-6!) USER MOD Single : A 42 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.537) USER MOD Single : A 49 SER OG : rot -160:sc= -0.659 USER MOD Single : A 54 LYS NZ :NH3+ -158:sc= -8.57! (180deg=-9.25!) USER MOD Single : A 64 THR OG1 : rot 69:sc= 0.743 USER MOD Single : A 67 THR OG1 : rot 93:sc= 0.721 USER MOD Single : A 70 GLN : amide:sc= -0.197 X(o=-0.2,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -150:sc= -1.08 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.0999 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.362 -12.471 2.418 1.00 0.00 N ATOM 2 CA ALA A 1 0.046 -12.100 2.109 1.00 0.00 C ATOM 3 C ALA A 1 0.231 -11.055 3.179 1.00 0.00 C ATOM 4 O ALA A 1 0.080 -11.396 4.336 1.00 0.00 O ATOM 5 CB ALA A 1 0.154 -11.501 0.679 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.458 -13.507 2.410 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.619 -12.107 3.358 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.994 -12.059 1.702 1.00 0.00 H new ATOM 0 HA ALA A 1 0.779 -12.907 2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.191 -11.236 0.473 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.185 -12.237 -0.050 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -0.469 -10.609 0.610 1.00 0.00 H new ATOM 13 N PHE A 2 0.563 -9.876 2.780 1.00 0.00 N ATOM 14 CA PHE A 2 0.742 -8.755 3.729 1.00 0.00 C ATOM 15 C PHE A 2 -0.008 -7.850 2.759 1.00 0.00 C ATOM 16 O PHE A 2 0.604 -7.273 1.876 1.00 0.00 O ATOM 17 CB PHE A 2 2.221 -8.317 3.888 1.00 0.00 C ATOM 18 CG PHE A 2 2.456 -7.707 5.298 1.00 0.00 C ATOM 19 CD1 PHE A 2 1.413 -7.275 6.118 1.00 0.00 C ATOM 20 CD2 PHE A 2 3.747 -7.602 5.789 1.00 0.00 C ATOM 21 CE1 PHE A 2 1.658 -6.768 7.376 1.00 0.00 C ATOM 22 CE2 PHE A 2 3.977 -7.096 7.044 1.00 0.00 C ATOM 23 CZ PHE A 2 2.943 -6.678 7.843 1.00 0.00 C ATOM 0 H PHE A 2 0.724 -9.630 1.803 1.00 0.00 H new ATOM 0 HA PHE A 2 0.440 -8.860 4.771 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.879 -9.174 3.741 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.475 -7.585 3.121 1.00 0.00 H new ATOM 0 HD1 PHE A 2 0.396 -7.339 5.761 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.579 -7.921 5.179 1.00 0.00 H new ATOM 0 HE1 PHE A 2 0.836 -6.441 7.995 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.991 -7.026 7.409 1.00 0.00 H new ATOM 0 HZ PHE A 2 3.140 -6.283 8.829 1.00 0.00 H new ATOM 33 N GLU A 3 -1.292 -7.777 2.923 1.00 0.00 N ATOM 34 CA GLU A 3 -2.113 -6.936 2.025 1.00 0.00 C ATOM 35 C GLU A 3 -2.235 -5.488 2.479 1.00 0.00 C ATOM 36 O GLU A 3 -1.548 -5.019 3.363 1.00 0.00 O ATOM 37 CB GLU A 3 -3.543 -7.624 1.867 1.00 0.00 C ATOM 38 CG GLU A 3 -3.859 -8.762 2.882 1.00 0.00 C ATOM 39 CD GLU A 3 -2.914 -9.924 2.736 1.00 0.00 C ATOM 40 OE1 GLU A 3 -2.792 -10.481 1.664 1.00 0.00 O ATOM 41 OE2 GLU A 3 -2.310 -10.243 3.730 1.00 0.00 O ATOM 0 H GLU A 3 -1.813 -8.270 3.649 1.00 0.00 H new ATOM 0 HA GLU A 3 -1.608 -6.878 1.061 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.309 -6.854 1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.622 -8.029 0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -3.798 -8.370 3.897 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.883 -9.106 2.734 1.00 0.00 H new ATOM 48 N PHE A 4 -3.145 -4.823 1.832 1.00 0.00 N ATOM 49 CA PHE A 4 -3.412 -3.383 2.105 1.00 0.00 C ATOM 50 C PHE A 4 -4.434 -3.036 3.206 1.00 0.00 C ATOM 51 O PHE A 4 -4.151 -2.173 4.016 1.00 0.00 O ATOM 52 CB PHE A 4 -3.804 -2.800 0.722 1.00 0.00 C ATOM 53 CG PHE A 4 -3.976 -1.281 0.722 1.00 0.00 C ATOM 54 CD1 PHE A 4 -2.995 -0.467 1.251 1.00 0.00 C ATOM 55 CD2 PHE A 4 -5.105 -0.709 0.163 1.00 0.00 C ATOM 56 CE1 PHE A 4 -3.146 0.897 1.218 1.00 0.00 C ATOM 57 CE2 PHE A 4 -5.251 0.656 0.133 1.00 0.00 C ATOM 58 CZ PHE A 4 -4.267 1.464 0.661 1.00 0.00 C ATOM 0 H PHE A 4 -3.733 -5.228 1.104 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.518 -2.939 2.543 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.039 -3.070 -0.006 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.735 -3.262 0.393 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.110 -0.903 1.690 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.877 -1.340 -0.252 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.376 1.531 1.634 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.135 1.096 -0.304 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.377 2.538 0.637 1.00 0.00 H new ATOM 68 N LYS A 5 -5.596 -3.633 3.264 1.00 0.00 N ATOM 69 CA LYS A 5 -6.579 -3.296 4.341 1.00 0.00 C ATOM 70 C LYS A 5 -7.023 -4.661 4.888 1.00 0.00 C ATOM 71 O LYS A 5 -6.647 -5.680 4.344 1.00 0.00 O ATOM 72 CB LYS A 5 -7.777 -2.554 3.736 1.00 0.00 C ATOM 73 CG LYS A 5 -7.337 -1.326 2.844 1.00 0.00 C ATOM 74 CD LYS A 5 -7.418 0.063 3.591 1.00 0.00 C ATOM 75 CE LYS A 5 -6.077 0.911 3.526 1.00 0.00 C ATOM 76 NZ LYS A 5 -4.939 0.194 4.172 1.00 0.00 N ATOM 0 H LYS A 5 -5.910 -4.346 2.606 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.157 -2.654 5.114 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.363 -3.247 3.132 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.426 -2.203 4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.315 -1.485 2.501 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.968 -1.288 1.956 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.228 0.650 3.158 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.674 -0.112 4.636 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.830 1.123 2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.229 1.871 4.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.070 0.755 4.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.143 0.059 5.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.810 -0.733 3.718 1.00 0.00 H new ATOM 90 N LEU A 6 -7.811 -4.633 5.923 1.00 0.00 N ATOM 91 CA LEU A 6 -8.316 -5.881 6.556 1.00 0.00 C ATOM 92 C LEU A 6 -9.773 -5.978 6.086 1.00 0.00 C ATOM 93 O LEU A 6 -10.255 -5.055 5.466 1.00 0.00 O ATOM 94 CB LEU A 6 -8.255 -5.708 8.073 1.00 0.00 C ATOM 95 CG LEU A 6 -6.808 -5.409 8.560 1.00 0.00 C ATOM 96 CD1 LEU A 6 -6.846 -5.108 10.077 1.00 0.00 C ATOM 97 CD2 LEU A 6 -5.872 -6.615 8.285 1.00 0.00 C ATOM 0 H LEU A 6 -8.135 -3.774 6.368 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.744 -6.772 6.295 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.915 -4.895 8.373 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.623 -6.613 8.558 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.418 -4.549 8.016 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.837 -4.897 10.431 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.484 -4.243 10.261 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.244 -5.972 10.609 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.866 -6.382 8.634 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.245 -7.493 8.813 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.846 -6.819 7.215 1.00 0.00 H new ATOM 109 N PRO A 7 -10.466 -7.049 6.360 1.00 0.00 N ATOM 110 CA PRO A 7 -11.947 -7.066 6.238 1.00 0.00 C ATOM 111 C PRO A 7 -12.595 -5.956 7.094 1.00 0.00 C ATOM 112 O PRO A 7 -12.909 -6.209 8.241 1.00 0.00 O ATOM 113 CB PRO A 7 -12.334 -8.497 6.658 1.00 0.00 C ATOM 114 CG PRO A 7 -11.050 -9.322 6.312 1.00 0.00 C ATOM 115 CD PRO A 7 -9.924 -8.372 6.788 1.00 0.00 C ATOM 0 HA PRO A 7 -12.307 -6.846 5.233 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.578 -8.555 7.719 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -13.205 -8.857 6.111 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.026 -10.278 6.834 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -10.978 -9.539 5.246 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.768 -8.425 7.866 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.968 -8.598 6.316 1.00 0.00 H new ATOM 123 N ASP A 8 -12.761 -4.793 6.522 1.00 0.00 N ATOM 124 CA ASP A 8 -13.373 -3.645 7.228 1.00 0.00 C ATOM 125 C ASP A 8 -14.560 -3.289 6.338 1.00 0.00 C ATOM 126 O ASP A 8 -15.646 -3.744 6.643 1.00 0.00 O ATOM 127 CB ASP A 8 -12.392 -2.512 7.266 1.00 0.00 C ATOM 128 CG ASP A 8 -12.933 -1.359 8.108 1.00 0.00 C ATOM 129 OD1 ASP A 8 -14.012 -0.905 7.762 1.00 0.00 O ATOM 130 OD2 ASP A 8 -12.221 -1.013 9.028 1.00 0.00 O ATOM 0 H ASP A 8 -12.485 -4.592 5.561 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.661 -3.857 8.258 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.445 -2.858 7.680 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.190 -2.165 6.253 1.00 0.00 H new ATOM 135 N ILE A 9 -14.351 -2.541 5.274 1.00 0.00 N ATOM 136 CA ILE A 9 -15.474 -2.141 4.347 1.00 0.00 C ATOM 137 C ILE A 9 -16.762 -1.872 5.167 1.00 0.00 C ATOM 138 O ILE A 9 -17.864 -2.170 4.741 1.00 0.00 O ATOM 139 CB ILE A 9 -15.761 -3.298 3.271 1.00 0.00 C ATOM 140 CG1 ILE A 9 -16.078 -4.658 3.968 1.00 0.00 C ATOM 141 CG2 ILE A 9 -14.562 -3.473 2.304 1.00 0.00 C ATOM 142 CD1 ILE A 9 -16.499 -5.733 2.942 1.00 0.00 C ATOM 0 H ILE A 9 -13.435 -2.184 5.002 1.00 0.00 H new ATOM 0 HA ILE A 9 -15.177 -1.235 3.819 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.635 -2.990 2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.201 -5.000 4.517 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -16.875 -4.517 4.698 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.785 -4.263 1.587 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -14.385 -2.539 1.771 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.672 -3.740 2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.712 -6.667 3.461 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.391 -5.400 2.412 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.691 -5.891 2.228 1.00 0.00 H new ATOM 154 N GLY A 10 -16.569 -1.302 6.319 1.00 0.00 N ATOM 155 CA GLY A 10 -17.698 -0.987 7.222 1.00 0.00 C ATOM 156 C GLY A 10 -17.844 0.513 7.325 1.00 0.00 C ATOM 157 O GLY A 10 -17.459 1.238 6.427 1.00 0.00 O ATOM 0 H GLY A 10 -15.652 -1.036 6.679 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -18.619 -1.429 6.841 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.522 -1.416 8.208 1.00 0.00 H new ATOM 161 N GLU A 11 -18.404 0.949 8.417 1.00 0.00 N ATOM 162 CA GLU A 11 -18.586 2.401 8.604 1.00 0.00 C ATOM 163 C GLU A 11 -17.237 2.921 9.041 1.00 0.00 C ATOM 164 O GLU A 11 -16.569 2.311 9.853 1.00 0.00 O ATOM 165 CB GLU A 11 -19.648 2.622 9.687 1.00 0.00 C ATOM 166 CG GLU A 11 -21.003 2.932 9.027 1.00 0.00 C ATOM 167 CD GLU A 11 -20.988 4.415 8.616 1.00 0.00 C ATOM 168 OE1 GLU A 11 -20.081 4.780 7.881 1.00 0.00 O ATOM 169 OE2 GLU A 11 -21.885 5.091 9.073 1.00 0.00 O ATOM 0 H GLU A 11 -18.740 0.362 9.180 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.922 2.915 7.703 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -19.732 1.734 10.314 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.352 3.445 10.338 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -21.161 2.295 8.157 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -21.821 2.734 9.720 1.00 0.00 H new ATOM 176 N GLY A 12 -16.880 4.040 8.506 1.00 0.00 N ATOM 177 CA GLY A 12 -15.573 4.661 8.842 1.00 0.00 C ATOM 178 C GLY A 12 -14.795 4.782 7.544 1.00 0.00 C ATOM 179 O GLY A 12 -14.681 5.876 7.034 1.00 0.00 O ATOM 0 H GLY A 12 -17.444 4.565 7.838 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.717 5.640 9.299 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.029 4.050 9.563 1.00 0.00 H new ATOM 183 N ILE A 13 -14.283 3.697 7.023 1.00 0.00 N ATOM 184 CA ILE A 13 -13.508 3.767 5.748 1.00 0.00 C ATOM 185 C ILE A 13 -13.995 2.649 4.829 1.00 0.00 C ATOM 186 O ILE A 13 -14.275 1.559 5.280 1.00 0.00 O ATOM 187 CB ILE A 13 -12.016 3.598 6.053 1.00 0.00 C ATOM 188 CG1 ILE A 13 -11.452 4.731 6.989 1.00 0.00 C ATOM 189 CG2 ILE A 13 -11.156 3.492 4.755 1.00 0.00 C ATOM 190 CD1 ILE A 13 -11.530 6.113 6.307 1.00 0.00 C ATOM 0 H ILE A 13 -14.368 2.764 7.426 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.655 4.730 5.260 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.936 2.654 6.593 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -12.017 4.751 7.921 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -10.417 4.509 7.249 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.106 3.373 5.023 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.481 2.630 4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.279 4.398 4.162 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -11.133 6.873 6.979 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.944 6.099 5.388 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -12.569 6.344 6.071 1.00 0.00 H new ATOM 202 N HIS A 14 -14.087 2.934 3.566 1.00 0.00 N ATOM 203 CA HIS A 14 -14.543 1.915 2.587 1.00 0.00 C ATOM 204 C HIS A 14 -13.540 1.959 1.439 1.00 0.00 C ATOM 205 O HIS A 14 -12.984 0.947 1.045 1.00 0.00 O ATOM 206 CB HIS A 14 -15.959 2.289 2.138 1.00 0.00 C ATOM 207 CG HIS A 14 -16.390 1.340 1.024 1.00 0.00 C ATOM 208 ND1 HIS A 14 -16.452 1.668 -0.219 1.00 0.00 N ATOM 209 CD2 HIS A 14 -16.766 0.011 1.051 1.00 0.00 C ATOM 210 CE1 HIS A 14 -16.832 0.652 -0.922 1.00 0.00 C ATOM 211 NE2 HIS A 14 -17.039 -0.402 -0.172 1.00 0.00 N ATOM 0 H HIS A 14 -13.862 3.844 3.163 1.00 0.00 H new ATOM 0 HA HIS A 14 -14.586 0.905 2.994 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -16.651 2.223 2.978 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -15.983 3.320 1.785 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -16.234 2.591 -0.593 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -16.827 -0.599 1.940 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -16.963 0.670 -1.994 1.00 0.00 H new ATOM 219 N GLU A 15 -13.334 3.146 0.949 1.00 0.00 N ATOM 220 CA GLU A 15 -12.395 3.390 -0.178 1.00 0.00 C ATOM 221 C GLU A 15 -11.225 4.279 0.235 1.00 0.00 C ATOM 222 O GLU A 15 -11.176 4.818 1.325 1.00 0.00 O ATOM 223 CB GLU A 15 -13.167 4.065 -1.349 1.00 0.00 C ATOM 224 CG GLU A 15 -13.924 5.364 -0.925 1.00 0.00 C ATOM 225 CD GLU A 15 -15.102 5.007 -0.041 1.00 0.00 C ATOM 226 OE1 GLU A 15 -15.982 4.389 -0.599 1.00 0.00 O ATOM 227 OE2 GLU A 15 -15.053 5.348 1.126 1.00 0.00 O ATOM 0 H GLU A 15 -13.795 3.987 1.296 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.988 2.428 -0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.464 4.307 -2.146 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.883 3.354 -1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.248 6.033 -0.392 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.270 5.899 -1.809 1.00 0.00 H new ATOM 234 N GLY A 16 -10.298 4.389 -0.663 1.00 0.00 N ATOM 235 CA GLY A 16 -9.080 5.226 -0.449 1.00 0.00 C ATOM 236 C GLY A 16 -8.609 5.669 -1.831 1.00 0.00 C ATOM 237 O GLY A 16 -8.907 4.997 -2.802 1.00 0.00 O ATOM 0 H GLY A 16 -10.329 3.921 -1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.307 6.088 0.178 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.303 4.657 0.061 1.00 0.00 H new ATOM 241 N GLU A 17 -7.900 6.760 -1.896 1.00 0.00 N ATOM 242 CA GLU A 17 -7.373 7.309 -3.164 1.00 0.00 C ATOM 243 C GLU A 17 -5.892 7.330 -2.816 1.00 0.00 C ATOM 244 O GLU A 17 -5.542 7.723 -1.717 1.00 0.00 O ATOM 245 CB GLU A 17 -7.910 8.707 -3.345 1.00 0.00 C ATOM 246 CG GLU A 17 -7.819 9.127 -4.837 1.00 0.00 C ATOM 247 CD GLU A 17 -6.375 8.949 -5.307 1.00 0.00 C ATOM 248 OE1 GLU A 17 -5.583 9.747 -4.845 1.00 0.00 O ATOM 249 OE2 GLU A 17 -6.157 8.024 -6.073 1.00 0.00 O ATOM 0 H GLU A 17 -7.656 7.316 -1.076 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.620 6.770 -4.079 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.946 8.753 -3.009 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.344 9.405 -2.728 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.491 8.519 -5.443 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.131 10.164 -4.958 1.00 0.00 H new ATOM 256 N ILE A 18 -5.081 6.921 -3.723 1.00 0.00 N ATOM 257 CA ILE A 18 -3.632 6.863 -3.570 1.00 0.00 C ATOM 258 C ILE A 18 -3.164 8.057 -4.372 1.00 0.00 C ATOM 259 O ILE A 18 -3.267 8.056 -5.580 1.00 0.00 O ATOM 260 CB ILE A 18 -3.287 5.531 -4.143 1.00 0.00 C ATOM 261 CG1 ILE A 18 -4.133 4.438 -3.432 1.00 0.00 C ATOM 262 CG2 ILE A 18 -1.835 5.340 -3.983 1.00 0.00 C ATOM 263 CD1 ILE A 18 -4.981 3.717 -4.472 1.00 0.00 C ATOM 0 H ILE A 18 -5.399 6.600 -4.637 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.190 6.926 -2.575 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.522 5.463 -5.205 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.481 3.730 -2.920 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.771 4.890 -2.673 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.548 4.372 -4.393 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.303 6.131 -4.513 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.578 5.376 -2.924 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.579 2.947 -3.984 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.641 4.432 -4.963 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.331 3.255 -5.215 1.00 0.00 H new ATOM 275 N VAL A 19 -2.614 9.008 -3.686 1.00 0.00 N ATOM 276 CA VAL A 19 -2.152 10.222 -4.389 1.00 0.00 C ATOM 277 C VAL A 19 -0.851 9.871 -5.091 1.00 0.00 C ATOM 278 O VAL A 19 -0.754 10.076 -6.282 1.00 0.00 O ATOM 279 CB VAL A 19 -1.975 11.327 -3.321 1.00 0.00 C ATOM 280 CG1 VAL A 19 -1.669 12.687 -3.967 1.00 0.00 C ATOM 281 CG2 VAL A 19 -3.220 11.378 -2.402 1.00 0.00 C ATOM 0 H VAL A 19 -2.465 8.998 -2.677 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.854 10.583 -5.141 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.113 11.083 -2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.550 13.441 -3.189 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.749 12.616 -4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.491 12.970 -4.625 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.087 12.159 -1.653 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.105 11.596 -3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.345 10.416 -1.905 1.00 0.00 H new ATOM 291 N LYS A 20 0.110 9.377 -4.371 1.00 0.00 N ATOM 292 CA LYS A 20 1.404 9.019 -5.035 1.00 0.00 C ATOM 293 C LYS A 20 2.037 7.729 -4.492 1.00 0.00 C ATOM 294 O LYS A 20 1.734 7.312 -3.386 1.00 0.00 O ATOM 295 CB LYS A 20 2.333 10.253 -4.826 1.00 0.00 C ATOM 296 CG LYS A 20 3.817 9.960 -5.063 1.00 0.00 C ATOM 297 CD LYS A 20 4.658 11.081 -4.407 1.00 0.00 C ATOM 298 CE LYS A 20 6.070 10.521 -4.150 1.00 0.00 C ATOM 299 NZ LYS A 20 6.524 9.702 -5.322 1.00 0.00 N ATOM 0 H LYS A 20 0.066 9.205 -3.367 1.00 0.00 H new ATOM 0 HA LYS A 20 1.240 8.802 -6.091 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.018 11.050 -5.499 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.204 10.624 -3.809 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.083 8.992 -4.639 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.025 9.908 -6.132 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.706 11.954 -5.058 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.200 11.405 -3.473 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.768 11.340 -3.977 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.068 9.909 -3.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.563 9.685 -5.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.165 8.731 -5.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.159 10.121 -6.201 1.00 0.00 H new ATOM 313 N TRP A 21 2.890 7.139 -5.293 1.00 0.00 N ATOM 314 CA TRP A 21 3.615 5.898 -4.906 1.00 0.00 C ATOM 315 C TRP A 21 5.091 6.270 -4.806 1.00 0.00 C ATOM 316 O TRP A 21 5.522 7.354 -5.180 1.00 0.00 O ATOM 317 CB TRP A 21 3.525 4.785 -5.948 1.00 0.00 C ATOM 318 CG TRP A 21 2.320 3.943 -5.634 1.00 0.00 C ATOM 319 CD1 TRP A 21 1.127 4.076 -6.252 1.00 0.00 C ATOM 320 CD2 TRP A 21 2.278 2.961 -4.711 1.00 0.00 C ATOM 321 NE1 TRP A 21 0.421 3.139 -5.651 1.00 0.00 N ATOM 322 CE2 TRP A 21 1.015 2.421 -4.722 1.00 0.00 C ATOM 323 CE3 TRP A 21 3.227 2.464 -3.829 1.00 0.00 C ATOM 324 CZ2 TRP A 21 0.683 1.396 -3.875 1.00 0.00 C ATOM 325 CZ3 TRP A 21 2.891 1.427 -2.981 1.00 0.00 C ATOM 326 CH2 TRP A 21 1.620 0.898 -3.005 1.00 0.00 C ATOM 0 H TRP A 21 3.117 7.481 -6.227 1.00 0.00 H new ATOM 0 HA TRP A 21 3.170 5.530 -3.981 1.00 0.00 H new ATOM 0 HB2 TRP A 21 3.443 5.208 -6.949 1.00 0.00 H new ATOM 0 HB3 TRP A 21 4.429 4.176 -5.932 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.831 4.765 -7.029 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -0.555 2.976 -5.898 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.221 2.885 -3.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -0.314 0.981 -3.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 3.627 1.030 -2.297 1.00 0.00 H new ATOM 0 HH2 TRP A 21 1.360 0.090 -2.338 1.00 0.00 H new ATOM 337 N PHE A 22 5.840 5.339 -4.295 1.00 0.00 N ATOM 338 CA PHE A 22 7.307 5.529 -4.117 1.00 0.00 C ATOM 339 C PHE A 22 8.056 4.359 -4.739 1.00 0.00 C ATOM 340 O PHE A 22 9.017 4.559 -5.451 1.00 0.00 O ATOM 341 CB PHE A 22 7.604 5.648 -2.606 1.00 0.00 C ATOM 342 CG PHE A 22 6.841 6.875 -2.030 1.00 0.00 C ATOM 343 CD1 PHE A 22 5.457 6.874 -1.955 1.00 0.00 C ATOM 344 CD2 PHE A 22 7.517 8.001 -1.586 1.00 0.00 C ATOM 345 CE1 PHE A 22 4.770 7.957 -1.464 1.00 0.00 C ATOM 346 CE2 PHE A 22 6.820 9.090 -1.086 1.00 0.00 C ATOM 347 CZ PHE A 22 5.440 9.069 -1.027 1.00 0.00 C ATOM 0 H PHE A 22 5.491 4.432 -3.985 1.00 0.00 H new ATOM 0 HA PHE A 22 7.640 6.438 -4.617 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.297 4.738 -2.090 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.676 5.761 -2.442 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.909 6.005 -2.289 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.596 8.030 -1.630 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.691 7.932 -1.422 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.359 9.960 -0.741 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.896 9.919 -0.641 1.00 0.00 H new ATOM 357 N VAL A 23 7.617 3.164 -4.468 1.00 0.00 N ATOM 358 CA VAL A 23 8.312 1.982 -5.053 1.00 0.00 C ATOM 359 C VAL A 23 7.523 1.585 -6.286 1.00 0.00 C ATOM 360 O VAL A 23 6.485 2.149 -6.571 1.00 0.00 O ATOM 361 CB VAL A 23 8.342 0.835 -4.033 1.00 0.00 C ATOM 362 CG1 VAL A 23 8.939 1.481 -2.787 1.00 0.00 C ATOM 363 CG2 VAL A 23 6.943 0.244 -3.724 1.00 0.00 C ATOM 0 H VAL A 23 6.816 2.953 -3.873 1.00 0.00 H new ATOM 0 HA VAL A 23 9.345 2.213 -5.314 1.00 0.00 H new ATOM 0 HB VAL A 23 8.912 -0.013 -4.411 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.005 0.741 -1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.936 1.859 -3.015 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.303 2.306 -2.465 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.041 -0.561 -2.996 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.300 1.025 -3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.503 -0.147 -4.641 1.00 0.00 H new ATOM 373 N LYS A 24 8.047 0.618 -6.969 1.00 0.00 N ATOM 374 CA LYS A 24 7.377 0.128 -8.208 1.00 0.00 C ATOM 375 C LYS A 24 7.253 -1.397 -8.036 1.00 0.00 C ATOM 376 O LYS A 24 7.897 -1.940 -7.160 1.00 0.00 O ATOM 377 CB LYS A 24 8.270 0.568 -9.454 1.00 0.00 C ATOM 378 CG LYS A 24 9.510 -0.352 -9.810 1.00 0.00 C ATOM 379 CD LYS A 24 10.631 -0.468 -8.752 1.00 0.00 C ATOM 380 CE LYS A 24 11.245 0.911 -8.373 1.00 0.00 C ATOM 381 NZ LYS A 24 12.628 0.751 -7.830 1.00 0.00 N ATOM 0 H LYS A 24 8.914 0.139 -6.727 1.00 0.00 H new ATOM 0 HA LYS A 24 6.383 0.541 -8.381 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.625 0.622 -10.331 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.639 1.577 -9.267 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.138 -1.355 -10.019 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.954 0.022 -10.733 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.231 -0.942 -7.855 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.418 -1.119 -9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.268 1.556 -9.251 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.614 1.403 -7.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.213 1.559 -8.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.591 0.713 -6.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.044 -0.130 -8.194 1.00 0.00 H new ATOM 395 N PRO A 25 6.462 -2.066 -8.836 1.00 0.00 N ATOM 396 CA PRO A 25 6.162 -3.509 -8.621 1.00 0.00 C ATOM 397 C PRO A 25 7.341 -4.381 -9.064 1.00 0.00 C ATOM 398 O PRO A 25 7.754 -4.303 -10.207 1.00 0.00 O ATOM 399 CB PRO A 25 4.890 -3.738 -9.434 1.00 0.00 C ATOM 400 CG PRO A 25 5.094 -2.784 -10.654 1.00 0.00 C ATOM 401 CD PRO A 25 5.754 -1.522 -10.033 1.00 0.00 C ATOM 0 HA PRO A 25 6.013 -3.779 -7.576 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.788 -4.778 -9.744 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.994 -3.486 -8.866 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.732 -3.236 -11.413 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.147 -2.543 -11.136 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.445 -1.045 -10.728 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.012 -0.773 -9.757 1.00 0.00 H new ATOM 409 N GLY A 26 7.838 -5.164 -8.162 1.00 0.00 N ATOM 410 CA GLY A 26 8.988 -6.054 -8.488 1.00 0.00 C ATOM 411 C GLY A 26 10.160 -5.608 -7.629 1.00 0.00 C ATOM 412 O GLY A 26 11.182 -6.270 -7.604 1.00 0.00 O ATOM 0 H GLY A 26 7.499 -5.231 -7.202 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.738 -7.095 -8.286 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.239 -5.986 -9.547 1.00 0.00 H new ATOM 416 N ASP A 27 9.993 -4.510 -6.935 1.00 0.00 N ATOM 417 CA ASP A 27 11.117 -4.025 -6.088 1.00 0.00 C ATOM 418 C ASP A 27 11.188 -4.786 -4.803 1.00 0.00 C ATOM 419 O ASP A 27 10.351 -5.597 -4.439 1.00 0.00 O ATOM 420 CB ASP A 27 10.960 -2.508 -5.696 1.00 0.00 C ATOM 421 CG ASP A 27 12.024 -1.599 -6.266 1.00 0.00 C ATOM 422 OD1 ASP A 27 12.704 -1.934 -7.215 1.00 0.00 O ATOM 423 OD2 ASP A 27 12.133 -0.513 -5.732 1.00 0.00 O ATOM 0 H ASP A 27 9.146 -3.942 -6.919 1.00 0.00 H new ATOM 0 HA ASP A 27 12.015 -4.168 -6.688 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.984 -2.158 -6.032 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.972 -2.424 -4.609 1.00 0.00 H new ATOM 428 N GLU A 28 12.247 -4.445 -4.158 1.00 0.00 N ATOM 429 CA GLU A 28 12.626 -4.993 -2.852 1.00 0.00 C ATOM 430 C GLU A 28 12.612 -3.740 -2.011 1.00 0.00 C ATOM 431 O GLU A 28 12.937 -2.675 -2.495 1.00 0.00 O ATOM 432 CB GLU A 28 14.026 -5.608 -2.949 1.00 0.00 C ATOM 433 CG GLU A 28 14.618 -5.687 -4.430 1.00 0.00 C ATOM 434 CD GLU A 28 15.574 -6.859 -4.523 1.00 0.00 C ATOM 435 OE1 GLU A 28 16.077 -7.264 -3.505 1.00 0.00 O ATOM 436 OE2 GLU A 28 15.696 -7.340 -5.623 1.00 0.00 O ATOM 0 H GLU A 28 12.911 -3.757 -4.514 1.00 0.00 H new ATOM 0 HA GLU A 28 11.988 -5.785 -2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 28 14.708 -5.025 -2.330 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.996 -6.614 -2.530 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.810 -5.804 -5.152 1.00 0.00 H new ATOM 0 HG3 GLU A 28 15.135 -4.760 -4.678 1.00 0.00 H new ATOM 443 N VAL A 29 12.240 -3.888 -0.782 1.00 0.00 N ATOM 444 CA VAL A 29 12.195 -2.710 0.103 1.00 0.00 C ATOM 445 C VAL A 29 13.106 -2.984 1.298 1.00 0.00 C ATOM 446 O VAL A 29 13.599 -4.083 1.504 1.00 0.00 O ATOM 447 CB VAL A 29 10.656 -2.511 0.397 1.00 0.00 C ATOM 448 CG1 VAL A 29 9.875 -3.839 0.601 1.00 0.00 C ATOM 449 CG2 VAL A 29 10.407 -1.593 1.581 1.00 0.00 C ATOM 0 H VAL A 29 11.966 -4.772 -0.353 1.00 0.00 H new ATOM 0 HA VAL A 29 12.577 -1.773 -0.302 1.00 0.00 H new ATOM 0 HB VAL A 29 10.271 -2.041 -0.508 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.826 -3.618 0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.954 -4.450 -0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.296 -4.383 1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.334 -1.489 1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 29 10.868 -2.017 2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 29 10.840 -0.613 1.379 1.00 0.00 H new ATOM 459 N ASN A 30 13.306 -1.969 2.070 1.00 0.00 N ATOM 460 CA ASN A 30 14.178 -2.048 3.283 1.00 0.00 C ATOM 461 C ASN A 30 13.481 -1.747 4.600 1.00 0.00 C ATOM 462 O ASN A 30 13.766 -2.246 5.669 1.00 0.00 O ATOM 463 CB ASN A 30 15.265 -1.079 3.111 1.00 0.00 C ATOM 464 CG ASN A 30 16.309 -1.336 4.206 1.00 0.00 C ATOM 465 OD1 ASN A 30 16.777 -2.461 4.318 1.00 0.00 O ATOM 466 ND2 ASN A 30 16.701 -0.397 5.007 1.00 0.00 N ATOM 0 H ASN A 30 12.891 -1.050 1.914 1.00 0.00 H new ATOM 0 HA ASN A 30 14.518 -3.081 3.353 1.00 0.00 H new ATOM 0 HB2 ASN A 30 15.715 -1.183 2.124 1.00 0.00 H new ATOM 0 HB3 ASN A 30 14.882 -0.061 3.181 1.00 0.00 H new ATOM 0 HD21 ASN A 30 17.396 -0.597 5.726 1.00 0.00 H new ATOM 0 HD22 ASN A 30 16.315 0.543 4.919 1.00 0.00 H new ATOM 473 N GLU A 31 12.552 -0.937 4.306 1.00 0.00 N ATOM 474 CA GLU A 31 11.538 -0.257 5.104 1.00 0.00 C ATOM 475 C GLU A 31 11.631 0.517 6.412 1.00 0.00 C ATOM 476 O GLU A 31 11.393 0.228 7.575 1.00 0.00 O ATOM 477 CB GLU A 31 10.384 -1.267 5.027 1.00 0.00 C ATOM 478 CG GLU A 31 9.136 -0.809 5.806 1.00 0.00 C ATOM 479 CD GLU A 31 8.635 0.500 5.175 1.00 0.00 C ATOM 480 OE1 GLU A 31 7.997 0.383 4.152 1.00 0.00 O ATOM 481 OE2 GLU A 31 8.903 1.551 5.714 1.00 0.00 O ATOM 0 H GLU A 31 12.441 -0.668 3.328 1.00 0.00 H new ATOM 0 HA GLU A 31 11.530 0.746 4.678 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.116 -1.427 3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.720 -2.226 5.420 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.360 -1.573 5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.378 -0.657 6.858 1.00 0.00 H new ATOM 488 N ASP A 32 12.087 1.577 5.858 1.00 0.00 N ATOM 489 CA ASP A 32 12.481 2.916 6.263 1.00 0.00 C ATOM 490 C ASP A 32 12.231 3.539 4.839 1.00 0.00 C ATOM 491 O ASP A 32 12.874 4.490 4.441 1.00 0.00 O ATOM 492 CB ASP A 32 13.991 2.900 6.698 1.00 0.00 C ATOM 493 CG ASP A 32 14.910 2.162 5.704 1.00 0.00 C ATOM 494 OD1 ASP A 32 14.495 1.144 5.178 1.00 0.00 O ATOM 495 OD2 ASP A 32 16.018 2.619 5.508 1.00 0.00 O ATOM 0 H ASP A 32 12.233 1.520 4.850 1.00 0.00 H new ATOM 0 HA ASP A 32 11.990 3.411 7.101 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.340 3.927 6.809 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.074 2.427 7.677 1.00 0.00 H new ATOM 500 N ASP A 33 11.257 2.963 4.149 1.00 0.00 N ATOM 501 CA ASP A 33 10.808 3.312 2.769 1.00 0.00 C ATOM 502 C ASP A 33 9.364 3.787 2.855 1.00 0.00 C ATOM 503 O ASP A 33 8.848 4.048 3.924 1.00 0.00 O ATOM 504 CB ASP A 33 10.849 2.044 1.858 1.00 0.00 C ATOM 505 CG ASP A 33 12.234 1.667 1.408 1.00 0.00 C ATOM 506 OD1 ASP A 33 12.708 2.342 0.521 1.00 0.00 O ATOM 507 OD2 ASP A 33 12.737 0.712 1.974 1.00 0.00 O ATOM 0 H ASP A 33 10.715 2.193 4.542 1.00 0.00 H new ATOM 0 HA ASP A 33 11.459 4.081 2.352 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.411 1.205 2.399 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.226 2.218 0.981 1.00 0.00 H new ATOM 512 N VAL A 34 8.716 3.924 1.728 1.00 0.00 N ATOM 513 CA VAL A 34 7.336 4.350 1.681 1.00 0.00 C ATOM 514 C VAL A 34 6.775 3.362 0.696 1.00 0.00 C ATOM 515 O VAL A 34 7.457 2.739 -0.096 1.00 0.00 O ATOM 516 CB VAL A 34 7.145 5.661 1.032 1.00 0.00 C ATOM 517 CG1 VAL A 34 5.801 6.212 1.364 1.00 0.00 C ATOM 518 CG2 VAL A 34 8.187 6.608 1.535 1.00 0.00 C ATOM 0 H VAL A 34 9.129 3.744 0.813 1.00 0.00 H new ATOM 0 HA VAL A 34 6.910 4.410 2.682 1.00 0.00 H new ATOM 0 HB VAL A 34 7.227 5.537 -0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.674 7.180 0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.030 5.526 1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.714 6.334 2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.054 7.580 1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.090 6.715 2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.177 6.220 1.296 1.00 0.00 H new ATOM 528 N LEU A 35 5.507 3.326 0.794 1.00 0.00 N ATOM 529 CA LEU A 35 4.720 2.443 -0.079 1.00 0.00 C ATOM 530 C LEU A 35 3.735 3.404 -0.710 1.00 0.00 C ATOM 531 O LEU A 35 4.019 3.912 -1.771 1.00 0.00 O ATOM 532 CB LEU A 35 3.941 1.323 0.705 1.00 0.00 C ATOM 533 CG LEU A 35 4.828 0.088 1.129 1.00 0.00 C ATOM 534 CD1 LEU A 35 5.173 -0.774 -0.107 1.00 0.00 C ATOM 535 CD2 LEU A 35 6.163 0.456 1.802 1.00 0.00 C ATOM 0 H LEU A 35 4.961 3.880 1.454 1.00 0.00 H new ATOM 0 HA LEU A 35 5.354 1.899 -0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.500 1.762 1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.118 0.968 0.085 1.00 0.00 H new ATOM 0 HG LEU A 35 4.218 -0.447 1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.785 -1.622 0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.253 -1.137 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.724 -0.171 -0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.704 -0.455 2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.763 1.054 1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.968 1.029 2.708 1.00 0.00 H new ATOM 547 N CYS A 36 2.647 3.669 -0.042 1.00 0.00 N ATOM 548 CA CYS A 36 1.630 4.591 -0.633 1.00 0.00 C ATOM 549 C CYS A 36 1.312 5.767 0.274 1.00 0.00 C ATOM 550 O CYS A 36 1.751 5.823 1.410 1.00 0.00 O ATOM 551 CB CYS A 36 0.367 3.780 -0.917 1.00 0.00 C ATOM 552 SG CYS A 36 -0.731 3.395 0.465 1.00 0.00 S ATOM 0 H CYS A 36 2.417 3.293 0.878 1.00 0.00 H new ATOM 0 HA CYS A 36 2.035 5.016 -1.551 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.215 4.321 -1.663 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.672 2.838 -1.372 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.451 2.354 0.170 1.00 0.00 H new ATOM 558 N GLU A 37 0.544 6.658 -0.281 1.00 0.00 N ATOM 559 CA GLU A 37 0.093 7.918 0.386 1.00 0.00 C ATOM 560 C GLU A 37 -1.408 7.961 0.054 1.00 0.00 C ATOM 561 O GLU A 37 -1.729 7.654 -1.084 1.00 0.00 O ATOM 562 CB GLU A 37 1.008 8.917 -0.346 1.00 0.00 C ATOM 563 CG GLU A 37 1.242 10.340 0.121 1.00 0.00 C ATOM 564 CD GLU A 37 1.825 11.076 -1.091 1.00 0.00 C ATOM 565 OE1 GLU A 37 1.042 11.302 -1.991 1.00 0.00 O ATOM 566 OE2 GLU A 37 3.008 11.359 -1.065 1.00 0.00 O ATOM 0 H GLU A 37 0.187 6.559 -1.231 1.00 0.00 H new ATOM 0 HA GLU A 37 0.169 8.075 1.462 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.990 8.448 -0.402 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.630 8.988 -1.366 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.312 10.803 0.452 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.930 10.368 0.966 1.00 0.00 H new ATOM 573 N VAL A 38 -2.263 8.317 0.973 1.00 0.00 N ATOM 574 CA VAL A 38 -3.725 8.357 0.650 1.00 0.00 C ATOM 575 C VAL A 38 -4.308 9.588 1.313 1.00 0.00 C ATOM 576 O VAL A 38 -3.885 9.958 2.391 1.00 0.00 O ATOM 577 CB VAL A 38 -4.417 7.087 1.198 1.00 0.00 C ATOM 578 CG1 VAL A 38 -5.959 7.229 1.249 1.00 0.00 C ATOM 579 CG2 VAL A 38 -4.071 5.847 0.320 1.00 0.00 C ATOM 0 H VAL A 38 -2.019 8.581 1.928 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.879 8.395 -0.428 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.043 6.953 2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.396 6.311 1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.226 8.064 1.897 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.341 7.413 0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.568 4.965 0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.410 6.019 -0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.993 5.689 0.323 1.00 0.00 H new ATOM 589 N GLN A 39 -5.267 10.180 0.664 1.00 0.00 N ATOM 590 CA GLN A 39 -5.891 11.377 1.245 1.00 0.00 C ATOM 591 C GLN A 39 -7.267 10.938 1.715 1.00 0.00 C ATOM 592 O GLN A 39 -8.152 10.685 0.917 1.00 0.00 O ATOM 593 CB GLN A 39 -5.991 12.471 0.176 1.00 0.00 C ATOM 594 CG GLN A 39 -6.711 13.698 0.804 1.00 0.00 C ATOM 595 CD GLN A 39 -6.425 14.946 -0.017 1.00 0.00 C ATOM 596 OE1 GLN A 39 -6.557 14.958 -1.219 1.00 0.00 O ATOM 597 NE2 GLN A 39 -6.029 16.031 0.569 1.00 0.00 N ATOM 0 H GLN A 39 -5.638 9.883 -0.238 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.314 11.789 2.073 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.998 12.751 -0.175 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.544 12.107 -0.690 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.785 13.518 0.845 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.373 13.842 1.830 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.909 16.049 1.582 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.837 16.867 0.018 1.00 0.00 H new ATOM 606 N ASN A 40 -7.405 10.846 2.999 1.00 0.00 N ATOM 607 CA ASN A 40 -8.696 10.437 3.624 1.00 0.00 C ATOM 608 C ASN A 40 -8.904 11.369 4.798 1.00 0.00 C ATOM 609 O ASN A 40 -8.037 12.157 5.107 1.00 0.00 O ATOM 610 CB ASN A 40 -8.666 8.959 4.132 1.00 0.00 C ATOM 611 CG ASN A 40 -7.406 8.653 4.923 1.00 0.00 C ATOM 612 OD1 ASN A 40 -6.337 8.658 4.361 1.00 0.00 O ATOM 613 ND2 ASN A 40 -7.428 8.381 6.190 1.00 0.00 N ATOM 0 H ASN A 40 -6.659 11.042 3.666 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.500 10.497 2.891 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.540 8.773 4.756 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.733 8.282 3.280 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.558 8.179 6.683 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.315 8.369 6.694 1.00 0.00 H new ATOM 620 N ASP A 41 -10.052 11.220 5.395 1.00 0.00 N ATOM 621 CA ASP A 41 -10.525 12.007 6.576 1.00 0.00 C ATOM 622 C ASP A 41 -9.563 13.023 7.203 1.00 0.00 C ATOM 623 O ASP A 41 -9.879 14.195 7.278 1.00 0.00 O ATOM 624 CB ASP A 41 -10.982 11.013 7.674 1.00 0.00 C ATOM 625 CG ASP A 41 -9.851 10.414 8.483 1.00 0.00 C ATOM 626 OD1 ASP A 41 -9.027 9.777 7.857 1.00 0.00 O ATOM 627 OD2 ASP A 41 -9.870 10.631 9.676 1.00 0.00 O ATOM 0 H ASP A 41 -10.735 10.529 5.086 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.324 12.629 6.172 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.665 11.526 8.351 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.545 10.206 7.205 1.00 0.00 H new ATOM 632 N LYS A 42 -8.444 12.551 7.651 1.00 0.00 N ATOM 633 CA LYS A 42 -7.413 13.422 8.287 1.00 0.00 C ATOM 634 C LYS A 42 -6.049 13.141 7.681 1.00 0.00 C ATOM 635 O LYS A 42 -5.085 13.799 8.026 1.00 0.00 O ATOM 636 CB LYS A 42 -7.335 13.117 9.772 1.00 0.00 C ATOM 637 CG LYS A 42 -8.705 13.343 10.434 1.00 0.00 C ATOM 638 CD LYS A 42 -8.728 12.538 11.760 1.00 0.00 C ATOM 639 CE LYS A 42 -10.192 12.282 12.144 1.00 0.00 C ATOM 640 NZ LYS A 42 -10.946 13.571 12.077 1.00 0.00 N ATOM 0 H LYS A 42 -8.187 11.565 7.604 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.691 14.463 8.123 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.016 12.086 9.922 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.586 13.754 10.243 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.866 14.404 10.628 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.508 13.015 9.774 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.196 11.594 11.640 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.220 13.092 12.549 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.636 11.551 11.468 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.250 11.864 13.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.799 13.505 12.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.343 14.344 12.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.221 13.761 11.092 1.00 0.00 H new ATOM 654 N ALA A 43 -5.969 12.181 6.810 1.00 0.00 N ATOM 655 CA ALA A 43 -4.647 11.861 6.202 1.00 0.00 C ATOM 656 C ALA A 43 -4.454 12.301 4.756 1.00 0.00 C ATOM 657 O ALA A 43 -5.378 12.632 4.042 1.00 0.00 O ATOM 658 CB ALA A 43 -4.477 10.373 6.325 1.00 0.00 C ATOM 0 H ALA A 43 -6.750 11.607 6.493 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.889 12.431 6.739 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.520 10.079 5.894 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.503 10.090 7.377 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.285 9.869 5.794 1.00 0.00 H new ATOM 664 N VAL A 44 -3.196 12.281 4.417 1.00 0.00 N ATOM 665 CA VAL A 44 -2.669 12.655 3.078 1.00 0.00 C ATOM 666 C VAL A 44 -1.748 11.524 2.560 1.00 0.00 C ATOM 667 O VAL A 44 -1.773 11.129 1.414 1.00 0.00 O ATOM 668 CB VAL A 44 -1.907 13.980 3.274 1.00 0.00 C ATOM 669 CG1 VAL A 44 -1.359 14.518 1.950 1.00 0.00 C ATOM 670 CG2 VAL A 44 -2.832 15.009 3.968 1.00 0.00 C ATOM 0 H VAL A 44 -2.462 11.999 5.066 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.456 12.786 2.336 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.044 13.796 3.914 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.828 15.453 2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.674 13.789 1.517 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.184 14.695 1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.294 15.947 4.107 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.711 15.184 3.348 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.143 14.622 4.938 1.00 0.00 H new ATOM 680 N VAL A 45 -0.954 11.063 3.474 1.00 0.00 N ATOM 681 CA VAL A 45 0.042 9.987 3.279 1.00 0.00 C ATOM 682 C VAL A 45 -0.467 8.830 4.081 1.00 0.00 C ATOM 683 O VAL A 45 -1.357 8.984 4.896 1.00 0.00 O ATOM 684 CB VAL A 45 1.406 10.416 3.849 1.00 0.00 C ATOM 685 CG1 VAL A 45 2.589 9.462 3.501 1.00 0.00 C ATOM 686 CG2 VAL A 45 1.669 11.786 3.326 1.00 0.00 C ATOM 0 H VAL A 45 -0.961 11.424 4.428 1.00 0.00 H new ATOM 0 HA VAL A 45 0.171 9.750 2.223 1.00 0.00 H new ATOM 0 HB VAL A 45 1.349 10.383 4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.508 9.845 3.945 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.383 8.467 3.896 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.705 9.406 2.419 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.629 12.141 3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.692 11.761 2.237 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.879 12.460 3.657 1.00 0.00 H new ATOM 696 N GLU A 46 0.168 7.741 3.791 1.00 0.00 N ATOM 697 CA GLU A 46 -0.186 6.490 4.484 1.00 0.00 C ATOM 698 C GLU A 46 0.910 5.822 5.267 1.00 0.00 C ATOM 699 O GLU A 46 0.993 5.818 6.480 1.00 0.00 O ATOM 700 CB GLU A 46 -0.751 5.439 3.500 1.00 0.00 C ATOM 701 CG GLU A 46 -2.140 5.831 3.065 1.00 0.00 C ATOM 702 CD GLU A 46 -3.040 4.572 3.133 1.00 0.00 C ATOM 703 OE1 GLU A 46 -2.789 3.697 2.334 1.00 0.00 O ATOM 704 OE2 GLU A 46 -3.925 4.488 3.961 1.00 0.00 O ATOM 0 H GLU A 46 0.917 7.665 3.103 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.930 6.828 5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.099 5.356 2.630 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.774 4.459 3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.534 6.616 3.711 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.122 6.232 2.052 1.00 0.00 H new ATOM 711 N ILE A 47 1.726 5.289 4.446 1.00 0.00 N ATOM 712 CA ILE A 47 2.914 4.537 4.875 1.00 0.00 C ATOM 713 C ILE A 47 4.075 5.493 5.146 1.00 0.00 C ATOM 714 O ILE A 47 4.255 6.472 4.449 1.00 0.00 O ATOM 715 CB ILE A 47 3.162 3.513 3.712 1.00 0.00 C ATOM 716 CG1 ILE A 47 2.326 2.210 3.877 1.00 0.00 C ATOM 717 CG2 ILE A 47 4.582 3.159 3.559 1.00 0.00 C ATOM 718 CD1 ILE A 47 0.941 2.392 3.268 1.00 0.00 C ATOM 0 H ILE A 47 1.617 5.344 3.433 1.00 0.00 H new ATOM 0 HA ILE A 47 2.793 4.003 5.818 1.00 0.00 H new ATOM 0 HB ILE A 47 2.834 4.029 2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.837 1.378 3.393 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.236 1.958 4.934 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.694 2.448 2.740 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.159 4.057 3.341 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.946 2.709 4.482 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.366 1.474 3.390 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.427 3.211 3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.037 2.621 2.207 1.00 0.00 H new ATOM 730 N PRO A 48 4.820 5.153 6.165 1.00 0.00 N ATOM 731 CA PRO A 48 5.931 4.163 6.166 1.00 0.00 C ATOM 732 C PRO A 48 5.306 2.855 6.673 1.00 0.00 C ATOM 733 O PRO A 48 4.142 2.806 7.033 1.00 0.00 O ATOM 734 CB PRO A 48 6.929 4.779 7.099 1.00 0.00 C ATOM 735 CG PRO A 48 5.975 5.194 8.248 1.00 0.00 C ATOM 736 CD PRO A 48 4.661 5.730 7.515 1.00 0.00 C ATOM 0 HA PRO A 48 6.417 3.939 5.217 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.693 4.072 7.423 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.448 5.629 6.657 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.748 4.349 8.898 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.422 5.967 8.873 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.750 5.385 8.003 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.619 6.819 7.493 1.00 0.00 H new ATOM 744 N SER A 49 6.108 1.860 6.698 1.00 0.00 N ATOM 745 CA SER A 49 5.615 0.535 7.161 1.00 0.00 C ATOM 746 C SER A 49 6.496 0.043 8.312 1.00 0.00 C ATOM 747 O SER A 49 7.384 0.740 8.749 1.00 0.00 O ATOM 748 CB SER A 49 5.666 -0.427 5.966 1.00 0.00 C ATOM 749 OG SER A 49 5.257 0.339 4.836 1.00 0.00 O ATOM 0 H SER A 49 7.089 1.890 6.420 1.00 0.00 H new ATOM 0 HA SER A 49 4.591 0.598 7.529 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.671 -0.825 5.826 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.005 -1.279 6.121 1.00 0.00 H new ATOM 0 HG SER A 49 4.964 -0.264 4.121 1.00 0.00 H new ATOM 755 N PRO A 50 6.229 -1.142 8.812 1.00 0.00 N ATOM 756 CA PRO A 50 7.188 -1.865 9.678 1.00 0.00 C ATOM 757 C PRO A 50 8.237 -2.756 8.980 1.00 0.00 C ATOM 758 O PRO A 50 9.314 -2.914 9.522 1.00 0.00 O ATOM 759 CB PRO A 50 6.295 -2.687 10.624 1.00 0.00 C ATOM 760 CG PRO A 50 4.814 -2.414 10.136 1.00 0.00 C ATOM 761 CD PRO A 50 4.966 -1.912 8.676 1.00 0.00 C ATOM 0 HA PRO A 50 7.830 -1.136 10.172 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.538 -3.748 10.572 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.431 -2.379 11.661 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.209 -3.319 10.182 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.322 -1.669 10.762 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.048 -2.729 7.959 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.129 -1.291 8.357 1.00 0.00 H new ATOM 769 N VAL A 51 7.946 -3.352 7.847 1.00 0.00 N ATOM 770 CA VAL A 51 8.964 -4.203 7.211 1.00 0.00 C ATOM 771 C VAL A 51 9.172 -4.152 5.718 1.00 0.00 C ATOM 772 O VAL A 51 8.414 -3.642 4.920 1.00 0.00 O ATOM 773 CB VAL A 51 8.590 -5.604 7.741 1.00 0.00 C ATOM 774 CG1 VAL A 51 7.039 -5.847 7.677 1.00 0.00 C ATOM 775 CG2 VAL A 51 9.206 -6.737 7.050 1.00 0.00 C ATOM 0 H VAL A 51 7.057 -3.279 7.352 1.00 0.00 H new ATOM 0 HA VAL A 51 9.955 -3.836 7.478 1.00 0.00 H new ATOM 0 HB VAL A 51 8.975 -5.578 8.760 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.811 -6.843 8.058 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.528 -5.100 8.285 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.701 -5.767 6.644 1.00 0.00 H new ATOM 0 HG21 VAL A 51 8.871 -7.668 7.507 1.00 0.00 H new ATOM 0 HG22 VAL A 51 8.916 -6.724 5.999 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.291 -6.664 7.128 1.00 0.00 H new ATOM 785 N LYS A 52 10.272 -4.789 5.485 1.00 0.00 N ATOM 786 CA LYS A 52 10.873 -4.979 4.149 1.00 0.00 C ATOM 787 C LYS A 52 10.492 -6.331 3.591 1.00 0.00 C ATOM 788 O LYS A 52 9.854 -7.128 4.237 1.00 0.00 O ATOM 789 CB LYS A 52 12.381 -4.826 4.349 1.00 0.00 C ATOM 790 CG LYS A 52 12.975 -5.972 5.230 1.00 0.00 C ATOM 791 CD LYS A 52 14.206 -5.515 6.099 1.00 0.00 C ATOM 792 CE LYS A 52 15.353 -4.828 5.297 1.00 0.00 C ATOM 793 NZ LYS A 52 15.585 -5.518 3.989 1.00 0.00 N ATOM 0 H LYS A 52 10.820 -5.219 6.230 1.00 0.00 H new ATOM 0 HA LYS A 52 10.515 -4.251 3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.877 -4.821 3.378 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.589 -3.864 4.818 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.196 -6.355 5.889 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.280 -6.796 4.585 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.855 -4.826 6.867 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.613 -6.385 6.614 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.101 -3.782 5.120 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.270 -4.840 5.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.572 -5.379 3.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.396 -6.535 4.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.949 -5.120 3.269 1.00 0.00 H new ATOM 807 N GLY A 53 10.938 -6.538 2.403 1.00 0.00 N ATOM 808 CA GLY A 53 10.650 -7.816 1.698 1.00 0.00 C ATOM 809 C GLY A 53 10.604 -7.409 0.244 1.00 0.00 C ATOM 810 O GLY A 53 11.399 -6.568 -0.151 1.00 0.00 O ATOM 0 H GLY A 53 11.500 -5.872 1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.424 -8.561 1.883 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.705 -8.251 2.024 1.00 0.00 H new ATOM 814 N LYS A 54 9.721 -7.966 -0.521 1.00 0.00 N ATOM 815 CA LYS A 54 9.622 -7.615 -1.955 1.00 0.00 C ATOM 816 C LYS A 54 8.307 -6.872 -2.058 1.00 0.00 C ATOM 817 O LYS A 54 7.517 -6.783 -1.136 1.00 0.00 O ATOM 818 CB LYS A 54 9.646 -8.957 -2.785 1.00 0.00 C ATOM 819 CG LYS A 54 10.011 -8.786 -4.295 1.00 0.00 C ATOM 820 CD LYS A 54 11.437 -8.261 -4.481 1.00 0.00 C ATOM 821 CE LYS A 54 12.519 -9.303 -4.243 1.00 0.00 C ATOM 822 NZ LYS A 54 13.817 -8.591 -4.313 1.00 0.00 N ATOM 0 H LYS A 54 9.048 -8.665 -0.206 1.00 0.00 H new ATOM 0 HA LYS A 54 10.434 -6.999 -2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.363 -9.638 -2.327 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.666 -9.430 -2.714 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.907 -9.744 -4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.307 -8.098 -4.763 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.540 -7.871 -5.494 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.597 -7.425 -3.800 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.391 -9.779 -3.271 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.469 -10.092 -4.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.574 -9.270 -4.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.777 -7.868 -5.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.012 -8.134 -3.399 1.00 0.00 H new ATOM 836 N VAL A 55 8.119 -6.365 -3.225 1.00 0.00 N ATOM 837 CA VAL A 55 6.908 -5.596 -3.555 1.00 0.00 C ATOM 838 C VAL A 55 6.481 -6.389 -4.771 1.00 0.00 C ATOM 839 O VAL A 55 6.545 -5.914 -5.884 1.00 0.00 O ATOM 840 CB VAL A 55 7.272 -4.180 -3.897 1.00 0.00 C ATOM 841 CG1 VAL A 55 5.920 -3.501 -4.079 1.00 0.00 C ATOM 842 CG2 VAL A 55 7.946 -3.640 -2.634 1.00 0.00 C ATOM 0 H VAL A 55 8.781 -6.455 -3.996 1.00 0.00 H new ATOM 0 HA VAL A 55 6.152 -5.496 -2.776 1.00 0.00 H new ATOM 0 HB VAL A 55 7.914 -4.045 -4.767 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.071 -2.452 -4.334 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.370 -3.994 -4.881 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.350 -3.571 -3.153 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.246 -2.605 -2.796 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.247 -3.689 -1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 55 8.826 -4.241 -2.406 1.00 0.00 H new ATOM 852 N LEU A 56 6.074 -7.591 -4.470 1.00 0.00 N ATOM 853 CA LEU A 56 5.608 -8.556 -5.514 1.00 0.00 C ATOM 854 C LEU A 56 4.969 -7.830 -6.706 1.00 0.00 C ATOM 855 O LEU A 56 5.590 -7.705 -7.742 1.00 0.00 O ATOM 856 CB LEU A 56 4.578 -9.547 -4.891 1.00 0.00 C ATOM 857 CG LEU A 56 5.124 -10.189 -3.570 1.00 0.00 C ATOM 858 CD1 LEU A 56 4.100 -11.216 -3.052 1.00 0.00 C ATOM 859 CD2 LEU A 56 6.466 -10.923 -3.814 1.00 0.00 C ATOM 0 H LEU A 56 6.043 -7.957 -3.518 1.00 0.00 H new ATOM 0 HA LEU A 56 6.477 -9.104 -5.878 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.646 -9.021 -4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.347 -10.333 -5.610 1.00 0.00 H new ATOM 0 HG LEU A 56 5.284 -9.391 -2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.472 -11.668 -2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.152 -10.716 -2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.951 -11.992 -3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.818 -11.357 -2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.319 -11.714 -4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.206 -10.214 -4.186 1.00 0.00 H new ATOM 871 N GLU A 57 3.764 -7.373 -6.508 1.00 0.00 N ATOM 872 CA GLU A 57 3.029 -6.650 -7.577 1.00 0.00 C ATOM 873 C GLU A 57 2.247 -5.519 -6.912 1.00 0.00 C ATOM 874 O GLU A 57 2.023 -5.541 -5.714 1.00 0.00 O ATOM 875 CB GLU A 57 2.033 -7.583 -8.263 1.00 0.00 C ATOM 876 CG GLU A 57 2.693 -8.896 -8.702 1.00 0.00 C ATOM 877 CD GLU A 57 1.578 -9.771 -9.257 1.00 0.00 C ATOM 878 OE1 GLU A 57 1.070 -9.382 -10.293 1.00 0.00 O ATOM 879 OE2 GLU A 57 1.312 -10.758 -8.596 1.00 0.00 O ATOM 0 H GLU A 57 3.250 -7.473 -5.633 1.00 0.00 H new ATOM 0 HA GLU A 57 3.733 -6.274 -8.320 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.210 -7.800 -7.582 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.605 -7.083 -9.132 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.457 -8.713 -9.458 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.187 -9.383 -7.861 1.00 0.00 H new ATOM 886 N ILE A 58 1.864 -4.583 -7.727 1.00 0.00 N ATOM 887 CA ILE A 58 1.081 -3.390 -7.319 1.00 0.00 C ATOM 888 C ILE A 58 0.081 -3.525 -8.467 1.00 0.00 C ATOM 889 O ILE A 58 0.480 -3.383 -9.606 1.00 0.00 O ATOM 890 CB ILE A 58 1.955 -2.130 -7.450 1.00 0.00 C ATOM 891 CG1 ILE A 58 3.221 -2.281 -6.539 1.00 0.00 C ATOM 892 CG2 ILE A 58 1.135 -0.867 -7.035 1.00 0.00 C ATOM 893 CD1 ILE A 58 4.173 -1.086 -6.749 1.00 0.00 C ATOM 0 H ILE A 58 2.078 -4.601 -8.724 1.00 0.00 H new ATOM 0 HA ILE A 58 0.680 -3.323 -6.308 1.00 0.00 H new ATOM 0 HB ILE A 58 2.272 -2.012 -8.486 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.921 -2.337 -5.493 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.737 -3.212 -6.772 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.761 0.020 -7.130 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.265 -0.769 -7.684 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.807 -0.970 -6.001 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.049 -1.202 -6.111 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.487 -1.050 -7.792 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.657 -0.161 -6.493 1.00 0.00 H new ATOM 905 N LEU A 59 -1.155 -3.795 -8.176 1.00 0.00 N ATOM 906 CA LEU A 59 -2.159 -3.947 -9.263 1.00 0.00 C ATOM 907 C LEU A 59 -2.885 -2.662 -9.646 1.00 0.00 C ATOM 908 O LEU A 59 -3.114 -2.419 -10.814 1.00 0.00 O ATOM 909 CB LEU A 59 -3.185 -4.999 -8.812 1.00 0.00 C ATOM 910 CG LEU A 59 -2.508 -6.219 -8.090 1.00 0.00 C ATOM 911 CD1 LEU A 59 -3.540 -7.342 -7.886 1.00 0.00 C ATOM 912 CD2 LEU A 59 -1.330 -6.767 -8.922 1.00 0.00 C ATOM 0 H LEU A 59 -1.517 -3.918 -7.230 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.616 -4.249 -10.159 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.906 -4.535 -8.139 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.742 -5.355 -9.679 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.132 -5.876 -7.126 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.065 -8.186 -7.385 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.363 -6.973 -7.274 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.923 -7.664 -8.854 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.878 -7.611 -8.401 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.694 -7.095 -9.896 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.585 -5.983 -9.058 1.00 0.00 H new ATOM 924 N VAL A 60 -3.238 -1.864 -8.681 1.00 0.00 N ATOM 925 CA VAL A 60 -3.965 -0.593 -8.989 1.00 0.00 C ATOM 926 C VAL A 60 -3.136 0.622 -8.490 1.00 0.00 C ATOM 927 O VAL A 60 -3.436 1.133 -7.438 1.00 0.00 O ATOM 928 CB VAL A 60 -5.373 -0.698 -8.290 1.00 0.00 C ATOM 929 CG1 VAL A 60 -6.346 0.342 -8.874 1.00 0.00 C ATOM 930 CG2 VAL A 60 -5.980 -2.126 -8.473 1.00 0.00 C ATOM 0 H VAL A 60 -3.057 -2.032 -7.691 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.104 -0.445 -10.060 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.230 -0.504 -7.227 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.313 0.254 -8.379 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.947 1.344 -8.715 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.468 0.166 -9.943 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.952 -2.174 -7.982 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.100 -2.337 -9.536 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.312 -2.865 -8.029 1.00 0.00 H new ATOM 940 N PRO A 61 -2.133 1.046 -9.227 1.00 0.00 N ATOM 941 CA PRO A 61 -1.190 2.139 -8.826 1.00 0.00 C ATOM 942 C PRO A 61 -1.695 3.353 -7.992 1.00 0.00 C ATOM 943 O PRO A 61 -1.975 3.233 -6.817 1.00 0.00 O ATOM 944 CB PRO A 61 -0.564 2.547 -10.177 1.00 0.00 C ATOM 945 CG PRO A 61 -0.443 1.179 -10.903 1.00 0.00 C ATOM 946 CD PRO A 61 -1.799 0.499 -10.581 1.00 0.00 C ATOM 0 HA PRO A 61 -0.508 1.748 -8.071 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -1.196 3.245 -10.725 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.406 3.028 -10.049 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -0.297 1.302 -11.976 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.400 0.597 -10.531 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.562 0.750 -11.318 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.713 -0.588 -10.568 1.00 0.00 H new ATOM 954 N GLU A 62 -1.799 4.498 -8.602 1.00 0.00 N ATOM 955 CA GLU A 62 -2.259 5.723 -7.893 1.00 0.00 C ATOM 956 C GLU A 62 -3.312 6.401 -8.748 1.00 0.00 C ATOM 957 O GLU A 62 -3.570 5.989 -9.862 1.00 0.00 O ATOM 958 CB GLU A 62 -1.007 6.612 -7.651 1.00 0.00 C ATOM 959 CG GLU A 62 0.004 6.558 -8.833 1.00 0.00 C ATOM 960 CD GLU A 62 1.223 7.371 -8.401 1.00 0.00 C ATOM 961 OE1 GLU A 62 1.160 8.574 -8.476 1.00 0.00 O ATOM 962 OE2 GLU A 62 2.174 6.735 -7.997 1.00 0.00 O ATOM 0 H GLU A 62 -1.579 4.640 -9.588 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.718 5.509 -6.928 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.323 7.643 -7.495 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.509 6.290 -6.737 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.284 5.529 -9.057 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.437 6.973 -9.740 1.00 0.00 H new ATOM 969 N GLY A 63 -3.890 7.414 -8.193 1.00 0.00 N ATOM 970 CA GLY A 63 -4.949 8.208 -8.877 1.00 0.00 C ATOM 971 C GLY A 63 -6.090 7.293 -9.285 1.00 0.00 C ATOM 972 O GLY A 63 -6.763 7.516 -10.273 1.00 0.00 O ATOM 0 H GLY A 63 -3.667 7.743 -7.254 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.317 8.990 -8.213 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.535 8.704 -9.755 1.00 0.00 H new ATOM 976 N THR A 64 -6.283 6.273 -8.507 1.00 0.00 N ATOM 977 CA THR A 64 -7.357 5.290 -8.779 1.00 0.00 C ATOM 978 C THR A 64 -7.923 5.041 -7.379 1.00 0.00 C ATOM 979 O THR A 64 -7.251 5.293 -6.400 1.00 0.00 O ATOM 980 CB THR A 64 -6.754 3.988 -9.372 1.00 0.00 C ATOM 981 OG1 THR A 64 -5.806 4.367 -10.363 1.00 0.00 O ATOM 982 CG2 THR A 64 -7.814 3.199 -10.199 1.00 0.00 C ATOM 0 H THR A 64 -5.728 6.075 -7.674 1.00 0.00 H new ATOM 0 HA THR A 64 -8.103 5.629 -9.498 1.00 0.00 H new ATOM 0 HB THR A 64 -6.360 3.401 -8.543 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.037 4.796 -9.933 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.361 2.293 -10.601 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.652 2.931 -9.555 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.171 3.821 -11.020 1.00 0.00 H new ATOM 990 N VAL A 65 -9.116 4.536 -7.288 1.00 0.00 N ATOM 991 CA VAL A 65 -9.677 4.299 -5.940 1.00 0.00 C ATOM 992 C VAL A 65 -9.436 2.827 -5.628 1.00 0.00 C ATOM 993 O VAL A 65 -9.643 1.968 -6.465 1.00 0.00 O ATOM 994 CB VAL A 65 -11.185 4.611 -5.969 1.00 0.00 C ATOM 995 CG1 VAL A 65 -11.741 4.534 -4.533 1.00 0.00 C ATOM 996 CG2 VAL A 65 -11.424 6.031 -6.556 1.00 0.00 C ATOM 0 H VAL A 65 -9.716 4.282 -8.073 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.215 4.930 -5.181 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.697 3.884 -6.599 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -12.809 4.754 -4.544 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.581 3.532 -4.134 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -11.227 5.261 -3.904 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.493 6.243 -6.573 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.917 6.771 -5.936 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -11.029 6.076 -7.571 1.00 0.00 H new ATOM 1006 N ALA A 66 -8.995 2.595 -4.434 1.00 0.00 N ATOM 1007 CA ALA A 66 -8.707 1.239 -3.927 1.00 0.00 C ATOM 1008 C ALA A 66 -9.519 1.262 -2.662 1.00 0.00 C ATOM 1009 O ALA A 66 -9.615 2.291 -2.027 1.00 0.00 O ATOM 1010 CB ALA A 66 -7.263 1.138 -3.616 1.00 0.00 C ATOM 0 H ALA A 66 -8.813 3.333 -3.754 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.936 0.414 -4.602 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.041 0.139 -3.241 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -6.682 1.324 -4.520 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.001 1.877 -2.859 1.00 0.00 H new ATOM 1016 N THR A 67 -10.078 0.168 -2.309 1.00 0.00 N ATOM 1017 CA THR A 67 -10.883 0.133 -1.088 1.00 0.00 C ATOM 1018 C THR A 67 -10.215 -0.819 -0.136 1.00 0.00 C ATOM 1019 O THR A 67 -9.010 -0.957 -0.037 1.00 0.00 O ATOM 1020 CB THR A 67 -12.304 -0.279 -1.607 1.00 0.00 C ATOM 1021 OG1 THR A 67 -12.082 -1.518 -2.273 1.00 0.00 O ATOM 1022 CG2 THR A 67 -12.792 0.620 -2.743 1.00 0.00 C ATOM 0 H THR A 67 -10.013 -0.714 -2.817 1.00 0.00 H new ATOM 0 HA THR A 67 -10.977 1.060 -0.522 1.00 0.00 H new ATOM 0 HB THR A 67 -13.007 -0.261 -0.774 1.00 0.00 H new ATOM 0 HG1 THR A 67 -12.226 -2.257 -1.646 1.00 0.00 H new ATOM 0 HG21 THR A 67 -13.780 0.293 -3.067 1.00 0.00 H new ATOM 0 HG22 THR A 67 -12.847 1.651 -2.393 1.00 0.00 H new ATOM 0 HG23 THR A 67 -12.097 0.558 -3.580 1.00 0.00 H new ATOM 1030 N VAL A 68 -11.118 -1.428 0.524 1.00 0.00 N ATOM 1031 CA VAL A 68 -10.875 -2.444 1.530 1.00 0.00 C ATOM 1032 C VAL A 68 -11.706 -3.506 0.784 1.00 0.00 C ATOM 1033 O VAL A 68 -12.593 -3.195 0.001 1.00 0.00 O ATOM 1034 CB VAL A 68 -11.554 -2.125 2.786 1.00 0.00 C ATOM 1035 CG1 VAL A 68 -11.392 -3.291 3.762 1.00 0.00 C ATOM 1036 CG2 VAL A 68 -10.851 -0.952 3.301 1.00 0.00 C ATOM 0 H VAL A 68 -12.111 -1.238 0.387 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.842 -2.647 1.812 1.00 0.00 H new ATOM 0 HB VAL A 68 -12.621 -1.945 2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.897 -3.055 4.698 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.830 -4.191 3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.332 -3.460 3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.299 -0.645 4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.801 -1.198 3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.928 -0.137 2.582 1.00 0.00 H new ATOM 1046 N GLY A 69 -11.407 -4.739 1.024 1.00 0.00 N ATOM 1047 CA GLY A 69 -12.185 -5.808 0.326 1.00 0.00 C ATOM 1048 C GLY A 69 -11.347 -6.095 -0.909 1.00 0.00 C ATOM 1049 O GLY A 69 -11.075 -7.227 -1.243 1.00 0.00 O ATOM 0 H GLY A 69 -10.675 -5.061 1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.300 -6.695 0.950 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.187 -5.470 0.063 1.00 0.00 H new ATOM 1053 N GLN A 70 -10.962 -5.023 -1.539 1.00 0.00 N ATOM 1054 CA GLN A 70 -10.131 -5.068 -2.764 1.00 0.00 C ATOM 1055 C GLN A 70 -8.722 -4.927 -2.209 1.00 0.00 C ATOM 1056 O GLN A 70 -8.520 -4.379 -1.139 1.00 0.00 O ATOM 1057 CB GLN A 70 -10.486 -3.857 -3.648 1.00 0.00 C ATOM 1058 CG GLN A 70 -9.828 -3.906 -5.041 1.00 0.00 C ATOM 1059 CD GLN A 70 -10.249 -2.639 -5.793 1.00 0.00 C ATOM 1060 OE1 GLN A 70 -11.385 -2.503 -6.187 1.00 0.00 O ATOM 1061 NE2 GLN A 70 -9.396 -1.685 -6.017 1.00 0.00 N ATOM 0 H GLN A 70 -11.202 -4.079 -1.238 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.264 -5.963 -3.372 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.568 -3.807 -3.767 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.179 -2.943 -3.140 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.743 -3.956 -4.951 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.144 -4.797 -5.583 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.433 -1.776 -5.695 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.690 -0.845 -6.515 1.00 0.00 H new ATOM 1070 N THR A 71 -7.788 -5.422 -2.951 1.00 0.00 N ATOM 1071 CA THR A 71 -6.386 -5.340 -2.530 1.00 0.00 C ATOM 1072 C THR A 71 -5.839 -4.194 -3.393 1.00 0.00 C ATOM 1073 O THR A 71 -6.546 -3.529 -4.131 1.00 0.00 O ATOM 1074 CB THR A 71 -5.714 -6.669 -2.856 1.00 0.00 C ATOM 1075 OG1 THR A 71 -6.733 -7.653 -2.712 1.00 0.00 O ATOM 1076 CG2 THR A 71 -4.632 -7.072 -1.824 1.00 0.00 C ATOM 0 H THR A 71 -7.944 -5.887 -3.846 1.00 0.00 H new ATOM 0 HA THR A 71 -6.227 -5.159 -1.467 1.00 0.00 H new ATOM 0 HB THR A 71 -5.254 -6.589 -3.841 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.363 -8.538 -2.911 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.192 -8.026 -2.112 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.855 -6.308 -1.794 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.087 -7.166 -0.838 1.00 0.00 H new ATOM 1084 N LEU A 72 -4.566 -4.017 -3.262 1.00 0.00 N ATOM 1085 CA LEU A 72 -3.848 -2.950 -4.008 1.00 0.00 C ATOM 1086 C LEU A 72 -2.465 -3.489 -4.326 1.00 0.00 C ATOM 1087 O LEU A 72 -2.087 -3.732 -5.456 1.00 0.00 O ATOM 1088 CB LEU A 72 -3.803 -1.690 -3.091 1.00 0.00 C ATOM 1089 CG LEU A 72 -2.796 -0.610 -3.574 1.00 0.00 C ATOM 1090 CD1 LEU A 72 -3.096 -0.191 -5.021 1.00 0.00 C ATOM 1091 CD2 LEU A 72 -2.909 0.619 -2.643 1.00 0.00 C ATOM 0 H LEU A 72 -3.972 -4.580 -2.654 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.333 -2.669 -4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.799 -1.251 -3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.538 -1.996 -2.079 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.787 -1.020 -3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.378 0.566 -5.337 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.019 -1.060 -5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.104 0.219 -5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.208 1.388 -2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.924 1.014 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.675 0.324 -1.620 1.00 0.00 H new ATOM 1103 N ILE A 73 -1.772 -3.647 -3.244 1.00 0.00 N ATOM 1104 CA ILE A 73 -0.381 -4.153 -3.225 1.00 0.00 C ATOM 1105 C ILE A 73 -0.345 -5.214 -2.129 1.00 0.00 C ATOM 1106 O ILE A 73 -1.276 -5.309 -1.339 1.00 0.00 O ATOM 1107 CB ILE A 73 0.523 -2.934 -2.904 1.00 0.00 C ATOM 1108 CG1 ILE A 73 2.021 -3.351 -2.794 1.00 0.00 C ATOM 1109 CG2 ILE A 73 0.016 -2.290 -1.549 1.00 0.00 C ATOM 1110 CD1 ILE A 73 2.899 -2.109 -2.583 1.00 0.00 C ATOM 0 H ILE A 73 -2.138 -3.432 -2.316 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.039 -4.596 -4.160 1.00 0.00 H new ATOM 0 HB ILE A 73 0.458 -2.207 -3.713 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.154 -4.045 -1.964 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.329 -3.874 -3.699 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.637 -1.429 -1.301 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.020 -1.970 -1.663 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.082 -3.027 -0.749 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.944 -2.411 -2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.778 -1.430 -3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.600 -1.604 -1.665 1.00 0.00 H new ATOM 1122 N THR A 74 0.720 -5.947 -2.165 1.00 0.00 N ATOM 1123 CA THR A 74 0.981 -7.020 -1.189 1.00 0.00 C ATOM 1124 C THR A 74 2.476 -6.866 -0.935 1.00 0.00 C ATOM 1125 O THR A 74 3.210 -6.294 -1.726 1.00 0.00 O ATOM 1126 CB THR A 74 0.658 -8.404 -1.796 1.00 0.00 C ATOM 1127 OG1 THR A 74 1.243 -9.365 -0.916 1.00 0.00 O ATOM 1128 CG2 THR A 74 1.343 -8.618 -3.138 1.00 0.00 C ATOM 0 H THR A 74 1.453 -5.838 -2.866 1.00 0.00 H new ATOM 0 HA THR A 74 0.376 -6.952 -0.285 1.00 0.00 H new ATOM 0 HB THR A 74 -0.421 -8.487 -1.924 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.500 -10.162 -1.426 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.086 -9.604 -3.525 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.011 -7.855 -3.842 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.423 -8.549 -3.010 1.00 0.00 H new ATOM 1136 N LEU A 75 2.857 -7.406 0.165 1.00 0.00 N ATOM 1137 CA LEU A 75 4.265 -7.394 0.643 1.00 0.00 C ATOM 1138 C LEU A 75 4.490 -8.814 1.148 1.00 0.00 C ATOM 1139 O LEU A 75 3.538 -9.485 1.514 1.00 0.00 O ATOM 1140 CB LEU A 75 4.351 -6.375 1.760 1.00 0.00 C ATOM 1141 CG LEU A 75 5.657 -5.516 1.788 1.00 0.00 C ATOM 1142 CD1 LEU A 75 5.465 -4.316 2.749 1.00 0.00 C ATOM 1143 CD2 LEU A 75 6.862 -6.336 2.301 1.00 0.00 C ATOM 0 H LEU A 75 2.217 -7.887 0.797 1.00 0.00 H new ATOM 0 HA LEU A 75 5.010 -7.126 -0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.496 -5.703 1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.260 -6.897 2.712 1.00 0.00 H new ATOM 0 HG LEU A 75 5.853 -5.183 0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.375 -3.717 2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.634 -3.702 2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.251 -4.684 3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.753 -5.708 2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.659 -6.688 3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.026 -7.191 1.645 1.00 0.00 H new ATOM 1155 N ASP A 76 5.717 -9.227 1.150 1.00 0.00 N ATOM 1156 CA ASP A 76 6.072 -10.586 1.633 1.00 0.00 C ATOM 1157 C ASP A 76 7.080 -10.214 2.716 1.00 0.00 C ATOM 1158 O ASP A 76 7.779 -9.229 2.580 1.00 0.00 O ATOM 1159 CB ASP A 76 6.701 -11.394 0.474 1.00 0.00 C ATOM 1160 CG ASP A 76 8.207 -11.243 0.374 1.00 0.00 C ATOM 1161 OD1 ASP A 76 8.846 -11.981 1.096 1.00 0.00 O ATOM 1162 OD2 ASP A 76 8.616 -10.413 -0.409 1.00 0.00 O ATOM 0 H ASP A 76 6.509 -8.670 0.831 1.00 0.00 H new ATOM 0 HA ASP A 76 5.256 -11.213 1.992 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.458 -12.449 0.604 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.249 -11.076 -0.466 1.00 0.00 H new ATOM 1167 N ALA A 77 7.105 -10.975 3.764 1.00 0.00 N ATOM 1168 CA ALA A 77 8.057 -10.690 4.879 1.00 0.00 C ATOM 1169 C ALA A 77 8.647 -11.976 5.457 1.00 0.00 C ATOM 1170 O ALA A 77 9.847 -12.065 5.613 1.00 0.00 O ATOM 1171 CB ALA A 77 7.323 -9.862 5.983 1.00 0.00 C ATOM 0 H ALA A 77 6.506 -11.789 3.904 1.00 0.00 H new ATOM 0 HA ALA A 77 8.892 -10.108 4.488 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.014 -9.651 6.799 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.967 -8.924 5.558 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.476 -10.433 6.363 1.00 0.00 H new ATOM 1177 N PRO A 78 7.849 -12.964 5.797 1.00 0.00 N ATOM 1178 CA PRO A 78 6.400 -12.888 6.126 1.00 0.00 C ATOM 1179 C PRO A 78 6.216 -12.508 7.606 1.00 0.00 C ATOM 1180 O PRO A 78 5.428 -11.655 7.941 1.00 0.00 O ATOM 1181 CB PRO A 78 5.876 -14.281 5.786 1.00 0.00 C ATOM 1182 CG PRO A 78 7.077 -15.212 6.175 1.00 0.00 C ATOM 1183 CD PRO A 78 8.358 -14.367 5.868 1.00 0.00 C ATOM 0 HA PRO A 78 5.854 -12.123 5.573 1.00 0.00 H new ATOM 0 HB2 PRO A 78 4.977 -14.524 6.352 1.00 0.00 H new ATOM 0 HB3 PRO A 78 5.621 -14.370 4.730 1.00 0.00 H new ATOM 0 HG2 PRO A 78 7.033 -15.495 7.227 1.00 0.00 H new ATOM 0 HG3 PRO A 78 7.065 -16.135 5.596 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.110 -14.481 6.649 1.00 0.00 H new ATOM 0 HD3 PRO A 78 8.824 -14.672 4.931 1.00 0.00 H new ATOM 1191 N GLY A 79 6.960 -13.151 8.446 1.00 0.00 N ATOM 1192 CA GLY A 79 6.906 -12.916 9.894 1.00 0.00 C ATOM 1193 C GLY A 79 8.374 -13.046 10.202 1.00 0.00 C ATOM 1194 O GLY A 79 8.965 -14.051 9.850 1.00 0.00 O ATOM 0 H GLY A 79 7.635 -13.864 8.168 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.507 -11.934 10.148 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.298 -13.653 10.419 1.00 0.00 H new ATOM 1198 N TYR A 80 8.869 -12.029 10.807 1.00 0.00 N ATOM 1199 CA TYR A 80 10.285 -11.906 11.226 1.00 0.00 C ATOM 1200 C TYR A 80 10.255 -11.522 12.707 1.00 0.00 C ATOM 1201 O TYR A 80 11.256 -11.777 13.348 1.00 0.00 O ATOM 1202 CB TYR A 80 10.999 -10.795 10.420 1.00 0.00 C ATOM 1203 CG TYR A 80 10.330 -9.417 10.624 1.00 0.00 C ATOM 1204 CD1 TYR A 80 9.191 -9.060 9.934 1.00 0.00 C ATOM 1205 CD2 TYR A 80 10.872 -8.511 11.516 1.00 0.00 C ATOM 1206 CE1 TYR A 80 8.619 -7.828 10.137 1.00 0.00 C ATOM 1207 CE2 TYR A 80 10.292 -7.275 11.716 1.00 0.00 C ATOM 1208 CZ TYR A 80 9.157 -6.928 11.020 1.00 0.00 C ATOM 1209 OH TYR A 80 8.544 -5.698 11.163 1.00 0.00 O ATOM 1210 OXT TYR A 80 9.228 -10.987 13.098 1.00 0.00 O ATOM 0 H TYR A 80 8.309 -11.211 11.049 1.00 0.00 H new ATOM 0 HA TYR A 80 10.825 -12.837 11.054 1.00 0.00 H new ATOM 0 HB2 TYR A 80 12.044 -10.740 10.724 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.988 -11.051 9.360 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.748 -9.751 9.232 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.764 -8.775 12.065 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.727 -7.563 9.590 1.00 0.00 H new ATOM 0 HE2 TYR A 80 10.729 -6.580 12.418 1.00 0.00 H new ATOM 0 HH TYR A 80 9.033 -5.163 11.823 1.00 0.00 H new